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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Cyclic voltammograms for H on Pt(111) and Pt(100) from first principles

G S Karlberg1, T F Jaramillo, E Skúlason

  • 1Center for Atomic-Scale Materials Design, Department of Physics, NanoDTU, Technical University of Denmark, DK-2800 Lyngby, Denmark.

Physical Review Letters
|October 13, 2007
PubMed

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